4-(2,4-dichlorophenoxy)-N-(3,5-difluorophenyl)butanamide

C16H13Cl2F2NO2 — CID 17271736

IUPAC4-(2,4-dichlorophenoxy)-N-(3,5-difluorophenyl)butanamide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)Nc1cc(F)cc(F)c1
InChIInChI=1S/C16H13Cl2F2NO2/c17-10-3-4-15(14(18)6-10)23-5-1-2-16(22)21-13-8-11(19)7-12(20)9-13/h3-4,6-9H,1-2,5H2,(H,21,22)
InChIKeyWFMPQOSFZJYCTG-UHFFFAOYSA-N
MW360.19 g/mol
LogP5.07
Rot. Bonds6

About 4-(2,4-dichlorophenoxy)-N-(3,5-difluorophenyl)butanamide

4-(2,4-dichlorophenoxy)-N-(3,5-difluorophenyl)butanamide (PubChem CID 17271736) has the molecular formula C16H13Cl2F2NO2 and a molecular weight of 360.19 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)-N-(3,5-difluorophenyl)butanamide.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-N-(3,5-difluorophenyl)butanamide
PubChem CID17271736
Molecular FormulaC16H13Cl2F2NO2
Molecular Weight360.19 g/mol
Exact Mass359.03
IUPAC Name4-(2,4-dichlorophenoxy)-N-(3,5-difluorophenyl)butanamide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)Nc1cc(F)cc(F)c1
InChIInChI=1S/C16H13Cl2F2NO2/c17-10-3-4-15(14(18)6-10)23-5-1-2-16(22)21-13-8-11(19)7-12(20)9-13/h3-4,6-9H,1-2,5H2,(H,21,22)
InChIKeyWFMPQOSFZJYCTG-UHFFFAOYSA-N
XLogP5.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.19
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-2-fluorophenyl)-4-(2,4-dichlorophenoxy)butanamide
CID 2165687
4-(2,4-dichlorophenoxy)-N-(3,4-dimethoxyphenyl)butanamide
CID 2282471
4-(2,4-dichlorophenoxy)-N-(3-hydroxyphenyl)butanamide
CID 601178
N-(6-chloro-3-pyridinyl)-4-(2,4-dichlorophenoxy)butanamide
CID 54787916
1-N',5-N'-bis[4-(2,4-dichlorophenoxy)butanoyl]pentanedihydrazide
CID 3689924
4-(2,4-dichlorophenoxy)-N-[3-(propanoylamino)phenyl]butanamide
CID 17188242
N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl]benzamide
CID 17235361
4-(2,4-dichlorophenoxy)-N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]butyl]butanamide
CID 2841733
[3-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl] acetate
CID 17341804
N-[3-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl]cyclopropanecarboxamide
CID 38324971
4-(2,4-dichlorophenoxy)-N-[3-[(1R)-1-hydroxyethyl]phenyl]butanamide
CID 40793146
4-(2,4-dichlorophenoxy)-N-naphthalen-1-ylbutanamide
CID 2177409

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenoxy)-N-(3,5-difluorophenyl)butanamide?
The IUPAC name of 4-(2,4-dichlorophenoxy)-N-(3,5-difluorophenyl)butanamide (CID 17271736) is 4-(2,4-dichlorophenoxy)-N-(3,5-difluorophenyl)butanamide.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-N-(3,5-difluorophenyl)butanamide?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-N-(3,5-difluorophenyl)butanamide is O=C(CCCOc1ccc(Cl)cc1Cl)Nc1cc(F)cc(F)c1.
What is the InChIKey of 4-(2,4-dichlorophenoxy)-N-(3,5-difluorophenyl)butanamide?
The InChIKey is WFMPQOSFZJYCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2F2NO2/c17-10-3-4-15(14(18)6-10)23-5-1-2-16(22)21-13-8-11(19)7-12(20)9-13/h3-4,6-9H,1-2,5H2,(H,21,22).
What are the key properties of 4-(2,4-dichlorophenoxy)-N-(3,5-difluorophenyl)butanamide?
4-(2,4-dichlorophenoxy)-N-(3,5-difluorophenyl)butanamide has a molecular weight of 360.19 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenoxy)-N-(3,5-difluorophenyl)butanamide is sourced from PubChem (CID 17271736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).